2-But-3-enyl-furan-3-carboxylic acid | 145628-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 2-But-3-enyl-furan-3-carboxylic acid
• 英文别名: 2-But-3-enylfuran-3-carboxylic acid
• CAS: 145628-17-7
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: QQMRKQPZVRFVPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-But-3-enyl-furan-3-carboxylic acid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 (2-But-3-enyl-furan-3-yl)-methanol
  参考文献：
  名称：

  An improved synthesis of 2-substituted-3-furoic acids leading to an intramolecular Diels–Alder reaction between a dienophile and furan diene both containing an electron withdrawing group

  摘要：

  An improved preparation of various 2-substituted-3-furoic acids by lithiation of 2-methyl-3-furoic acid with 2.0 equiv. of butyllithium, and a successful intramolecular Diels-Alder reaction using 0.1 equiv. of methylaluminium dichloride between a dienophile and furan diene, which are both substituted with an electron withdrawing moiety, are described.

  DOI：

  10.1039/p19920002729
• 作为产物：
  描述：

  2-甲基-3-糠酸 、 3-溴丙烯 在 正丁基锂 作用下， 生成 2-But-3-enyl-furan-3-carboxylic acid
  参考文献：
  名称：

  An improved synthesis of 2-substituted-3-furoic acids leading to an intramolecular Diels–Alder reaction between a dienophile and furan diene both containing an electron withdrawing group

  摘要：

  An improved preparation of various 2-substituted-3-furoic acids by lithiation of 2-methyl-3-furoic acid with 2.0 equiv. of butyllithium, and a successful intramolecular Diels-Alder reaction using 0.1 equiv. of methylaluminium dichloride between a dienophile and furan diene, which are both substituted with an electron withdrawing moiety, are described.

  DOI：

  10.1039/p19920002729